6,9-bis(fluoranyl)-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine

Systemtic Name: 6,9-bis(fluoranyl)-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine Openeye Name: 6,9-difluoro-N-isopropyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine CAS Name: 6,9-difluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine IUPAC Name: 6,9-difluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine Traditional Name: (6,9-difluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-isopropyl-amine Formula: C13H17F2NS MolecularWeight: 257.342586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCCSC2=C(C=CC(=C12)F)F

Isomeric SMILES

CC(C)NC1CCCSC2=C(C=CC(=C12)F)F

InChI

InChI=1S/C13H17F2NS/c1-8(2)16-11-4-3-7-17-13-10(15)6-5-9(14)12(11)13/h5-6,8,11,16H,3-4,7H2,1-2H3